CID 3034189

Carbamothioic acid, methyl-, o-butyl ester

Structural Information

Molecular Formula
C6H13NOS
SMILES
CCCCOC(=S)NC
InChI
InChI=1S/C6H13NOS/c1-3-4-5-8-6(9)7-2/h3-5H2,1-2H3,(H,7,9)
InChIKey
DJFNWCMRLYVRNG-UHFFFAOYSA-N
Compound name
O-butyl N-methylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

147.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 132.6
[M+Na]+ 170.06102 141.4
[M+NH4]+ 165.10562 140.8
[M+K]+ 186.03496 134.1
[M-H]- 146.06452 132.7
[M+Na-2H]- 168.04647 135.4
[M]+ 147.07125 134.1
[M]- 147.07235 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe